CeOs 4 As 12 : a hybridized gap semiconductor
作者： A. Shankar , T. Chaki , N. Barman , S. Chatterjee , R. K. Thapa
DOI: 10.1007/S12648-019-01405-X
关键词: Electron 、 Semiconductor 、 Spin polarization 、 Plane wave 、 Band gap 、 Materials science 、 Thermal conduction 、 Ionic bonding 、 Condensed matter physics 、 Attenuation coefficient
摘要: The ground-state electronic properties of CeOs4As12 have been investigated within the framework full-potential linearized augmented plane wave method. effect exchange correlation functional treated with GGA depicts a zero band gap semiconducting behavior, which turns to open an energy 0.04 eV inclusion mBJ potential in calculation. presence strong hybridization Ce-f states conduction electrons predominates overall profile, where effects spin polarization and localized are also dominated. brittle nature ionic type interatomic bonding has observed for this material, whose hardness is comparable analogous Ce-filled skutterudites. sample alloy possesses high reflectivity as evident from optical response, absorption coefficient increases dramatically beyond visible spectral range that determines its optoelectronic applications.
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